CID 3758882

4-amino-3-nitrophenol

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])N

InChI

InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2

InChIKey

IQXUIDYRTHQTET-UHFFFAOYSA-N

Compound name

4-amino-3-nitrophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 9856
Patents: 154.03784 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.04512	126.1
[M+Na]+	177.02706	138.4
[M+NH4]+	172.07166	134.0
[M+K]+	193.00100	136.4
[M-H]-	153.03056	129.2
[M+Na-2H]-	175.01251	132.1
[M]+	154.03729	128.4
[M]-	154.03839	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe